General Information of the Compound
| Compound ID |
CP0500610
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| Compound Name |
CHEMBL578166
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| Formula |
C20H25F2N5O
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| Molecular Weight |
389.45
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| Canonical SMILES |
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)n1
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| InChI |
InChI=1S/C20H25F2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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| InChIKey |
AFFQHADHKVBBKI-GASCZTMLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound